2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
- IUPAC Standard InChIKey: CRDAMVZIKSXKFV-PVMFERMNSA-N
- CAS Registry Number: 3790-71-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: (Z,E)-Farnesol; (2Z,6E)-Farnesol; cis-Farnesol; cis,trans-Farnesol; 2-cis,6-trans-Farnesol; (2Z,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; (Z,E)-α-Farnesol; cis,trans-α-Farnesol
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph | HP-5 | HP-5 MS | HP-5 MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 50. | 60. | 60. | 60. |
| Tend (C) | 200. | 280. | 220. | 220. | 240. |
| Heat rate (K/min) | 5. | 5. | 6. | 6. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 25. | 5. | |||
| I | 1699. | 1697. | 1686. | 1697. | 1690. |
| Reference | Priya, Prathapan, et al., 2012 | Lago, Favero, et al., 2009 | Loghmani-Khouzani, Fini, et al., 2007 | Loghmani-Khouzani, Fini, et al., 2007 | Miyazawa and Tamura, 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | SPB-5 | DB-5 | DB-1 | PE-5 |
| Column length (m) | 50. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | Helium | N2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.26 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 95. | 50. | 60. | 90. | 60. |
| Tend (C) | 240. | 250. | 290. | 240. | 230. |
| Heat rate (K/min) | 4. | 2. | 3. | 4. | 5. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 4. | ||||
| I | 1691. | 1700. | 1738. | 1687. | 1678. |
| Reference | Pala-Paul, Brophy, et al., 2007 | Raal, Orav, et al., 2007 | Elfami, Komar, et al., 2006 | Velasco-Negueruela, Pérez-Alonso, et al., 2006 | Singh, Raina, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-1 | DB-5 | RSL-200 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.249 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 40. | 60. |
| Tend (C) | 280. | 260. | 300. | 280. | 280. |
| Heat rate (K/min) | 3. | 2. | 3. | 6. | 4. |
| Initial hold (min) | 5. | 5. | 10. | ||
| Final hold (min) | 20. | 5. | 40. | ||
| I | 1673. | 1654. | 1696. | 1697. | 1697. |
| Reference | Tzakou and Constantinidis, 2005 | Senatore, Napolitano, et al., 2004 | Woerdenbag, Windono, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Pino, Marbot, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | DB-5MS | HP-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | H2 | He | H2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 40. | 40. | 80. |
| Tend (C) | 280. | 240. | 280. | 280. | 225. |
| Heat rate (K/min) | 6. | 3. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 5. | ||||
| I | 1685. | 1695. | 1697. | 1658. | 1656. |
| Reference | Jirovetz, Buchbauer, et al., 2002 | Maia, Zoghbi, et al., 2002 | Velickovic, Randjelovic, et al., 2002 | Dabiri and Sefidkon, 2001 | Palá-Paúl, Pérez-Alonso, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-1 | OV-101 | DB-1 | HP-5 |
| Column length (m) | 60. | 50. | 50. | 25. |
| Carrier gas | He | N2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | |
| Tstart (C) | 60. | 80. | 70. | 70. |
| Tend (C) | 200. | 200. | 240. | 290. |
| Heat rate (K/min) | 4. | 1. | 4. | 3. |
| Initial hold (min) | 5. | 8. | ||
| Final hold (min) | 25. | 20. | 20. | |
| I | 1699. | 1699. | 1657. | 1700. |
| Reference | Meccia, Rojas, et al., 2000 | Menon, Chacko, et al., 1999 | Palá-Paúl, Pérez-Alonso, et al., 1999 | Poiana, Sicari, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Priya, Prathapan, et al., 2012
Priya, R.; Prathapan, A.; Raghu, K.G.; Menon, A.N.,
Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves,
Asian Pacific Journal of Tropical Biomedicine, 2012, 2, 2, s695-s699, https://doi.org/10.1016/S2221-1691(12)60298-6
. [all data]
Lago, Favero, et al., 2009
Lago, J.H.G.; Favero, O.A.; Romoff, P.,
Chemical composition and seasonal variations of the volatile oils from leaves of Michelia champaca L., Magnoliaceae,
Braz. J. Pharmacognosia, 2009, 19, 4, 880-882. [all data]
Loghmani-Khouzani, Fini, et al., 2007
Loghmani-Khouzani, H.; Fini, O.; Safari, J.,
Essential oil composition of Rosa damascena mill cultivated in Central Iran,
Scientia Iranica, 2007, 14, 4, 316-319. [all data]
Miyazawa and Tamura, 2007
Miyazawa, M.; Tamura, N.,
Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'),
Flavour Fragr. J., 2007, 22, 3, 188-190, https://doi.org/10.1002/ffj.1779
. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2006
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography?mass spectrometry of the volatiles from the fruits of Ammodaucus leucotrichus subsp. leucotrichus and subsp. nanocarpus grown in North Africa and the Canary Islands, respectively,
J. Chromatogr. A, 2006, 1108, 2, 273-275, https://doi.org/10.1016/j.chroma.2006.01.031
. [all data]
Singh, Raina, et al., 2005
Singh, A.K.; Raina, V.K.; Naqvi, A.A.; Patra, N.K.; Kumar, B.; Ram, P.; Khanuja, S.P.S.,
Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f. piperascens Malinvaud ex. Holmes) cultivars,
Flavour Fragr. J., 2005, 20, 3, 302-305, https://doi.org/10.1002/ffj.1417
. [all data]
Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T.,
Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008
. [all data]
Senatore, Napolitano, et al., 2004
Senatore, F.; Napolitano, F.; Mohamed, M.A.-H.; Harris, P.J.C.; MnKeni, P.N.S.; Henderson, J.,
Antibacterial activity of Tagetes minuta L. (Asteraceae) essential oil with different chemical composition,
Flavour Fragr. J., 2004, 19, 6, 574-578, https://doi.org/10.1002/ffj.1358
. [all data]
Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J.,
Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia,
Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284
. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K.,
Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India,
Acta Pharm. Hung., 2003, 53, 73-81. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M.,
Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry,
J. Chromatogr. A, 2002, 976, 1-2, 265-275, https://doi.org/10.1016/S0021-9673(02)00376-X
. [all data]
Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D.,
Essential oils composition of Eupatorium species growing wild in the Amazon,
Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5
. [all data]
Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S.,
Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L.,
J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V
. [all data]
Dabiri and Sefidkon, 2001
Dabiri, M.; Sefidkon, F.,
Analysis of the essential oil from aerial parts of Perovskia atriplicifolia Benth. at different stages of plant growth,
Flavour Fragr. J., 2001, 16, 6, 435-438, https://doi.org/10.1002/ffj.988
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2001
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, R.; Sanz, J.; Conejero, Fco.,
Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia,
Biochem. Syst. Ecol., 2001, 29, 7, 663-672, https://doi.org/10.1016/S0305-1978(01)00032-1
. [all data]
Meccia, Rojas, et al., 2000
Meccia, G.; Rojas, L.B.; Rosquete, C.; Feliciano, A.S.,
Essential oil of Croton ovalifolius Vahl from Venezuela,
Flavour Fragr. J., 2000, 15, 3, 144-146, https://doi.org/10.1002/1099-1026(200005/06)15:3<144::AID-FFJ882>3.0.CO;2-C
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J.,
Essential oil of Santolina rosmarinifolia L. ssp. rosmarinifolia: first isolation of capillene, a diacetylene derivative,
Flavour Fragr. J., 1999, 14, 2, 131-134, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<131::AID-FFJ794>3.0.CO;2-7
. [all data]
Poiana, Sicari, et al., 1998
Poiana, M.; Sicari, V.; Mincione, B.,
Supercritical carbon dioxide (SC-CO2) extraction of grapefruit flavedo,
Flavour Fragr. J., 1998, 13, 2, 125-130, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<125::AID-FFJ708>3.0.CO;2-#
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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